azetidine;prop-1-ene

C6H13N — CID 168888111

IUPACazetidine;prop-1-ene
SMILESC1CNC1.C=CC
InChIInChI=1S/C3H7N.C3H6/c1-2-4-3-1;1-3-2/h4H,1-3H2;3H,1H2,2H3
InChIKeyGHVMELGSUODZNU-UHFFFAOYSA-N
MW99.18 g/mol
LogP1.17
Rot. Bonds

About azetidine;prop-1-ene

azetidine;prop-1-ene (PubChem CID 168888111) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is azetidine;prop-1-ene.

Molecular Properties

Compound Nameazetidine;prop-1-ene
PubChem CID168888111
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC Nameazetidine;prop-1-ene
SMILESC1CNC1.C=CC
InChIInChI=1S/C3H7N.C3H6/c1-2-4-3-1;1-3-2/h4H,1-3H2;3H,1H2,2H3
InChIKeyGHVMELGSUODZNU-UHFFFAOYSA-N
XLogP1.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze azetidine;prop-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of azetidine;prop-1-ene?
The IUPAC name of azetidine;prop-1-ene (CID 168888111) is azetidine;prop-1-ene.
What is the SMILES notation for azetidine;prop-1-ene?
The canonical SMILES for azetidine;prop-1-ene is C1CNC1.C=CC.
What is the InChIKey of azetidine;prop-1-ene?
The InChIKey is GHVMELGSUODZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N.C3H6/c1-2-4-3-1;1-3-2/h4H,1-3H2;3H,1H2,2H3.
What are the key properties of azetidine;prop-1-ene?
azetidine;prop-1-ene has a molecular weight of 99.18 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azetidine;prop-1-ene is sourced from PubChem (CID 168888111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).